3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide

C25H35N7O2 — CID 23602236

IUPAC3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccccc1CN1CCC(CNC(=O)CCc2c(C)nc3nc(CN)nn3c2C)CC1
InChIInChI=1S/C25H35N7O2/c1-17-21(18(2)32-25(28-17)29-23(14-26)30-32)8-9-24(33)27-15-19-10-12-31(13-11-19)16-20-6-4-5-7-22(20)34-3/h4-7,19H,8-16,26H2,1-3H3,(H,27,33)
InChIKeySOACWRUUXQXPGF-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.17
Rot. Bonds9

About 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide

3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 23602236) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID23602236
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccccc1CN1CCC(CNC(=O)CCc2c(C)nc3nc(CN)nn3c2C)CC1
InChIInChI=1S/C25H35N7O2/c1-17-21(18(2)32-25(28-17)29-23(14-26)30-32)8-9-24(33)27-15-19-10-12-31(13-11-19)16-20-6-4-5-7-22(20)34-3/h4-7,19H,8-16,26H2,1-3H3,(H,27,33)
InChIKeySOACWRUUXQXPGF-UHFFFAOYSA-N
XLogP2.17
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide with MolForge

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Related Compounds

3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23602199
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 23602233
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[(2-methoxyphenyl)methyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 23603026
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,5-diethoxyphenyl)propanamide
CID 23602217
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid;hydrochloride
CID 126459972
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904
N-[3-(1-benzylpiperidin-4-yl)propyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 46255720
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-ethylphenyl)propanamide
CID 23602220
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 48861803
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide (CID 23602236) is 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide is COc1ccccc1CN1CCC(CNC(=O)CCc2c(C)nc3nc(CN)nn3c2C)CC1.
What is the InChIKey of 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is SOACWRUUXQXPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-17-21(18(2)32-25(28-17)29-23(14-26)30-32)8-9-24(33)27-15-19-10-12-31(13-11-19)16-20-6-4-5-7-22(20)34-3/h4-7,19H,8-16,26H2,1-3H3,(H,27,33).
What are the key properties of 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 465.60 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 23602236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).